N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine

C22H19N3O2 — CID 44715025

IUPACN-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine
SMILESCOc1ccc(OC)c(/C=N/Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C22H19N3O2/c1-26-16-11-12-21(27-2)15(13-16)14-23-25-22-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)22/h3-14H,1-2H3,(H,24,25)/b23-14+
InChIKeyNOVNQWCWUUKXDF-OEAKJJBVSA-N
MW357.41 g/mol
LogP4.85
Rot. Bonds5

About N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine

N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine (PubChem CID 44715025) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine.

Molecular Properties

Compound NameN-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine
PubChem CID44715025
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine
SMILESCOc1ccc(OC)c(/C=N/Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C22H19N3O2/c1-26-16-11-12-21(27-2)15(13-16)14-23-25-22-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)22/h3-14H,1-2H3,(H,24,25)/b23-14+
InChIKeyNOVNQWCWUUKXDF-OEAKJJBVSA-N
XLogP4.85
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine
CID 45481473
2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6511521
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
CID 7237453
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine
CID 110194361
methyl 2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110532642
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 5432429
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 6875795
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 5349994
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6413043
2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697091
4-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 2842344
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline
CID 126015225

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine?
The IUPAC name of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine (CID 44715025) is N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine.
What is the SMILES notation for N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine?
The canonical SMILES for N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine is COc1ccc(OC)c(/C=N/Nc2c3ccccc3nc3ccccc23)c1.
What is the InChIKey of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine?
The InChIKey is NOVNQWCWUUKXDF-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-26-16-11-12-21(27-2)15(13-16)14-23-25-22-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)22/h3-14H,1-2H3,(H,24,25)/b23-14+.
What are the key properties of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine?
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine has a molecular weight of 357.41 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine is sourced from PubChem (CID 44715025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).